AC1Q4CAK
11-(3,4-dimethoxyphenyl)-9-thiophen-2-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
Also Known As: 7-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine|SR-01000014485-1|F1718-0728|11-(3,4-dimethoxyphenyl)-9-(thiophen-2-yl)-8-oxa-12,13,15,17-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,13,15-hexaene|11-(3,4-dimethoxyphenyl)-9-thiophen-2-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene|11-(3,4-dimethoxyphenyl)-9-(thiophen-2-yl)-8-oxa-12,13,15,17-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2,4,6,13,15-hexaene
| Molecular Formula | C24H20N4O3S |
|---|---|
| Molecular Weight | 444.1256 g/mol |
| LogP | 4.9167 |
| Topological Polar Surface Area | 70.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.1256 |
| Monoisotopic Mass | 444.1256 |
| Heavy Atoms | 32 |
| Complexity | 1328.785 |
Chemical Identifiers
| CAS Number | 850189-64-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4OC3C5=CC=CS5)NC6=NC=NN26)OC |
Product Overview
AC1Q4CAK (CAS 850189-64-9), with molecular formula C24H20N4O3S and molecular weight 444.1256 g/mol. IUPAC: 11-(3,4-dimethoxyphenyl)-9-thiophen-2-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene.
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